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Atomistic study on the microscopic mechanism of grain boundary embrittlement induced by small dense helium bubbles in iron

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Nuclear Science and Techniques 2024年第3期35卷 84-95页

作者： Lei Peng Yong-Jie Sun Jing-Yi Shi Yi-Fei liu Shang-Ming Chen liu-liu Li State Key Laboratory of Particle Detection and Electronics University of Science and Technology of ChinaHefei 230026China School of Nuclear Science and Technology University of Science and Technology of ChinaHefei 230027China Science and Technology on Reactor System Design Technology Laboratory Nuclear Power Institute of ChinaChengdu 610213China

The helium bubbles induced by 14 MeV neutron irradiation can cause intergranular fractures in reduced activation ferritic martensitic steel,which is a candidate structural material for fusion *** order to elucidate the susceptibility of different grain boundaries(GBs)to helium-induced embrittlement,the tensile fracture processes of 10 types of GBs with and without helium bubbles in body-centered cubic(bcc)iron at the relevant service temperature of 600 K were investigated via molecular dynamics *** results indicate that in the absence of helium bubbles,the GBs studied here can be classified into two distinct categories:brittle GBs and ductile *** atomic scale analysis shows that the plastic deformation of ductile GB at high temperatures originates from complex plastic deformation mechanisms,including the Bain/Burgers path phase transition and deformation twinning,in which the Bain path phase transition is the most dominant plastic deformation ***,the presence of helium bubbles severely inhibits the plastic deformation channels of the GBs,resulting in a significant decrease in elongation at *** bubble-decorated GBs,the ultimate tensile strength increases with the increase in the misorientation ***,the coherent twin boundary∑3{112}was found to maintain relatively high fracture strength and maximum failure strain under the influence of helium bubbles.

关键词： Helium bubble Grain boundary Embrittlement Reduced activation ferritic martensitic steel Molecular dynamics Bain path

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Atomically precise Ru-O-Ru clusters for enhanced water dissociation in alkaline hydrogen evolution

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Nano Research 2024年第8期17卷 6993-7000页

作者： Dong liu Li Xu Sicheng Li Airong Xu Yuanhua Sun Tong liu Mengyuan liu Huijuan Wang Xiaokang liu Tao Yao Tao Ding Hefei National Research Center for Physical Sciences at the Microscale School of Nuclear Science and TechnologyKey Laboratory of Precision and Intelligent ChemistryNational Synchrotron Radiation LaboratoryUniversity of Science and Technology of ChinaHefei 230029China Experimental Center of Engineering and Materials Science University of Science and Technology of ChinaHefei 230026China

Atomic clusters typically exhibit distinctive electronic structures and physicochemical ***,as the size decreases,their ability to adsorb and dissociate water also diminishes,thereby affecting chemical reactions involving water *** the adsorption and dissociation capabilities of atomic clusters towards water molecules and elucidating the mechanisms underlying their performance enhancement have become important research ***,employing the carrier-anchored strategy,Ru-O-Ru atomic clusters were prepared and displayed excellent activity and durability in the hydrogen evolution ***,the Ru-O-Ru atomic clusters exhibited only 86 mV overpotential at 100 mA·cm−^(2)and superior membrane-electrode-assembly activity than commercial Ru/C *** radiation-based Fourier transform infrared spectroscopic measurements revealed that the modification of oxygen in Ru-O-Ru units promoted the reorientation of water molecules from a H-up orientation to H-down,therefore,enhanced the formation of strong hydrogen-bond network of interfacial water on the surface of Ru-O-Ru clusters,leading to enhanced adsorption and dissociation of water and accelerated Volmer *** findings provide a potential strategy and deep insights for the development of atomic clusters in electrocatalysts.

关键词： hydrogen evolution in-situ Fourier transform infrared(FTIR) Ru catalysts electrocatalysis atomic clusters

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Unlocking high-efficiency oxygen evolution reaction through Co-N coordination engineering in Co@N-doped porous carbon core–shell nanoparticles

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Nano Research 2024年第8期17卷 7068-7076页

作者： Shucheng liu Yu Shuai Xiaosi Qi Zhao Ding Yi liu College of Big Data and Information Engineering Guizhou UniversityGuiyang 550025China College of Physics Guizhou Province Key Laboratory for Photoelectrics Technology and ApplicationGuizhou UniversityGuiyang 550025China

Modulation of metal sites coordination can significantly refine the electronic architecture of catalysts,thereby improving their catalytic *** work successfully developed a core–shell Co@N-doped porous carbon(Co@NC)catalyst by pyrolyzing the COF/MOF(IISERP-COF3/ZIF-67)composite in an inert *** Co@NC catalyst exhibited impressive oxygen evolution reaction(OER)performance,with a small overpotential of 304 mV and a modest Tafel slope of 88.6 mV·dec^(−1)in a 1 M KOH,alongside remarkable stability,maintaining 98.5%of its activity over 13 *** role of IISERP-COF3 was pivotal in preventing Co atom aggregation during the ZIF-67 pyrolysis,which facilitated the creation of mesopores for enhanced mass transport and ***,it effectively modulated the Co-N coordination to fine-tune the electronic structure,thereby optimizing the catalyst's capacity for adsorption of intermediates and boosting its intrinsic *** functional theory(DFT)studies corroborate that the exceptional OER efficiency of Co@NC can be linked to the enhanced Co-N coordination,optimizing the localized electronic structure at the Co active *** study not only proposes an innovative approach for optimizing COF/MOF as effective electrocatalysts but also clears the path for the emergence of affordable,high-performance alternatives to precious metal-based catalysts,marking a significant advancement in sustainable energy technologies.

关键词： covalent organic framework(COF) metal-organic framework(MOF) core-shell structure catalysts oxygen evolution reaction

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Improvement effect of reversible solid solutions Mg_(2)Ni(Cu)/Mg_(2)Ni(Cu)H_(4)on hydrogen storage performance of MgH_(2)

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Journal of Magnesium and Alloys 2024年第1期12卷 197-208页

作者： Yingyan Zhao Zhibing liu Jiangchuan liu Yunfeng Zhu Jiguang Zhang Yana liu Xiaohui Hu Liquan Li College of Materials Science and Engineering Nanjing Tech University30 South Puzhu RoadNanjing211816PR China Jiangsu Collaborative Innovation Centre for Advanced Inorganic Function Composites Nanjing Tech UniversityNanjing211816PR China

The hydrogen absorption/desorption kinetic properties of MgH_(2)can be effectively enhanced by doping specific *** this work,MOFs-derived NiCu@C nanoparticles(~15 nm)with regular core-shell structure were successfully prepared and introduced into MgH_(2)(denoted as MgH_(2)-NiCu@C).The onset and peak temperatures of hydrogen desorption of MgH_(2)-11 wt.%NiCu@C are 175.0℃and282.2℃,*** apparent activation energy of dehydrogenated reaction is 77.2±4.5 kJ/mol for MgH_(2)-11 wt.%NiCu@C,which is lower than half of that of the as-milled MgH_(2).Moreover,MgH_(2)-11 wt.%NiCu@C displays great cyclic *** strengthening"hydrogen pumping"effect of reversible solid solutions Mg_(2)Ni(Cu)/Mg_(2)Ni(Cu)H_(4)is proposed to explain the remarkable improvement in hydrogen absorption/desorption kinetic properties of MgH_(2).This work offers a novel perspective for the design of bimetallic nanoparticles and beyond for application in hydrogen storage and other energy related fields.

关键词： Magnesium hydride Reversible solid solution Core-shell nanoparticles Hydrogen storage performance

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Contact engineering for temperature stability improvement of Bi-contacted MoS2 field effect transistors

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Science China(Information Sciences) 2024年第6期67卷 172-179页

作者： Zizheng liu Qing ZHANG Xiaohe HUANG Chunsen liu Peng ZHOU State Key Laboratory of Integrated Chip and Systems School of MicroelectronicsZhangjiang Fudan International Innovation CenterFudan University Frontier Institute of Chip and System Shanghai Key Lab for Future Computing Hardware and SystemFudan University Shaoxin Laboratory

Semimetallic bismuth（Bi） is one of the most effective strategies for reducing the contact resistance of two-dimensional transition metal dichalcogenide field effect transistors（FETs）. However, the low melting point of Bi contact（271.5℃） limits its reliable applications. In this study, we demonstrated that the temperature stability of Bi-contacted electrodes could be improved by inserting a high-melting point semimetallic antimony（Sb） between the Bi contacting layer and the gold（Au） capping layer. The proposed Bi/Sb/Au contact electrodes tended to form a metal mixture with a continuous surface during the heating process（Voids appeared on the surface of the Bi/Au contact electrodes after heating at 120℃）. Because of the improved contacting layer formed by the semimetal Bi/Sb alloy, the fabricated Bi/Sb/Au-contacted molybdenum sulfide（MoS2） FETs with different gate lengths demonstrated higher on-state current stability after heating treatment than the Bi/Au contact. Because of the Bi/Sb/Au contact and poly（methyl methacrylate） package, the MoS2FETs demonstrated time stability of at least two months from the almost unchanged transfer characteristics. The electrical stability indicates that the insertion of semimetallic Sb is a promising technology for reliable Bi-based contact.

关键词： temperature stability semimetallic bismuth contact semimetallic antimony contact MoS$_{2}$ FETs time stability

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Design and performance investigation of modified dual reflector parabolic trough collector with double planar mirrors

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Science China(Technological Sciences) 2024年第3期67卷 902-918页

作者： LI Peijing liu TaiXiu QIN YuanLong LI JiChao liu QiBin School of Energy Powerand Mechanical EngineeringNorth China Electric Power University Beijing 226China Institute of Engineering Thermophysics Chinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China Department of Thermal Science and Energy Engineering University of Science and Technology of ChinaHefei 230027China

In a typical parabolic trough collector(PTC), sunlight is concentrated at the bottom of the absorber tube. This concentrated solar flux leads to uneven heat distribution, resulting in high local temperatures and significant thermal stress on the absorber *** limitations have restricted the application of PTCs in solar thermochemistry and other fields and have impacted their safe operation. In this study, a new PTC with dual planar mirrors(DPMS) is proposed to homogenize the circumferential solar flux distribution of the absorber tube. A design method and single-objective optimization of the new PTC with a DPMS are proposed,and an uncertainty analysis of the operational and structural parameters is performed. A coupled light-heat-structure numerical model was developed to study the heat transfer performance and structural mechanical properties. The thermodynamic properties of the PTC with DPMS under different boundary conditions were analyzed. The results show that the circumferential temperature difference of the new PTC is within 2.6 K, and the circumferential thermal deformation is within 0.9 mm under typical working conditions(the inlet velocity of the heat transfer fluid is 3 m/s, inlet temperature is 573.15 K, and the direct normal irradiance is 1000 W/m^(2)). Compared with conventional PTCs, the circumferential temperature difference is reduced by 74%–90%, and the maximum thermal deformation along the y-axis is reduced by more than 95% under all working conditions(1–5 m/s, 373.5–675.15 K, 200–1000 W/m^(2)). The new PTC maintains the uniformity of the circumferential solar flux distribution for different operating parameters(sun incident angle of 0°–3°) and installation errors(±3 mm), is suitable for solar energy applications in various fields, and has the potential for large-scale applications.

关键词： solar thermal energy parabolic trough collector secondary reflector solar flux distribution optical optimization

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Dynamic Simulation of Distribution Networks Using Multi-stage Discontinuous Galerkin Method

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CSEE Journal of Power and Energy Systems 2024年第1期10卷 185-196页

作者： Ruizhi Yu Wei Gu Weiqi liu Peixin Li Wei liu School of Electrical Engineering Southeast UniversityNanjing 210096China. the School of Electrical Engineering Southeast UniversityNanjing 210096China School of Automation Nanjing University of Science and TechnologyNanjing 210094China

Dynamic simulation plays a fundamental role in security evaluation of distribution networks(DNs).However,the strong stiffness and non-linearity of distributed generation(DG)models in DNs bring about burdensome computation and noteworthy instability on traditional methods which hampers the rapid response of simulation ***,a novel L-stable approximate analytical method with high accuracy is proposed to handle these *** method referred to as multistage discontinuous Galerkin method(MDGM),first derives approximate analytical solutions(AASs)of state variables which are explicit symbolic expressions concerning system ***,in each time window,it substitutes values for symbolic variables and trajectories of state variables are obtained *** paper applies MDGM to DG models to derive ***-truncation-error-based variable step size strategy is also developed to further improve simulation *** addition,this paper establishes detailed MDGM-based dynamic simulation *** case studies on a numerical problem,a modified 33-bus system and a practical large-scale DN,it can be seen that proposed method demonstrates fast and dependable performance compared with the traditional trapezoidal method.

关键词： Approximate analytical method distribution network distributed generation dynamic simulation multi-stage discontinuous Galerkin method variable step size

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Identification of the Worst-case Static Voltage Stability Margin Interval of AC/DC Power System Considering Uncertainty of Renewables

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CSEE Journal of Power and Energy Systems 2024年第3期10卷 974-987页

作者： Wanbin liu Shunjiang Lin Yuerong Yang Mingbo liu Qifeng Li School of Electric Power Engineering South China University of TechnologyGuangzhou 510640China Guangdong Key Laboratory of Clean Energy Technology South China University of TechnologyGuangzhou 511458China Department of Electrical and Computer Engineering University of Central FloridaOrlandoFL 32816USA CSEE IEEE

Calculation of static voltage stability margin(SVSM)of AC/DC power systems with lots of renewable energy sources(RESs)integration requires consideration of uncertain load growth and renewable energy generation *** paper presents a bi-level optimal power flow(BLOPF)model to identify the worst-case SVSM of an AC/DC power system with line commutation converter-based HVDC and multi-terminal voltage sourced converter-based HVDC transmission *** of uncertain load growth’s hypercone model and control mode switching of DC converter stations are considered in the BLOPF ***,uncertain RES output fluctuations are described as intervals,and two three-level optimal power flow(TLOPF)models are established to identify interval bounds of the system worst-case *** two TLOPF models are both transformed into max–min bi-level optimization models according to independent characteristics of different uncertain ***,transforming the inner level model into its dual form,max–min BLOPF models are simplified to single-level optimization models for direct *** results on the modified IEEE-39 bus AC/DC case and an actual large-scale AC/DC case in China indicate correctness and efficiency of the proposed identification method.

关键词： AC/DC power system control mode switching convex relaxation dual programming multi-level optimization optimal power flow static voltage stability margin

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Effect of Pre-strain on Microstructure and Stamping Performance of High-strength Low-alloy Steel

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Journal of Wuhan University of Technology(Materials Science) 2024年第3期39卷 774-780页

作者：刘坡 WEN Zhicheng liu Zheng 许峰 School of Mechanical Engineering Guilin University of Aerospace TechnologyGuilin 541004China School of Automotive Engineer-ing Changshu Institute of TechnologyChangshu 215500China

In this study,pre-strain ranging from 0 to 0.12 was applied through uniaxial tension on high-strength low-alloy(HSLA)specimens with four kinds of grain *** of pre-strain and grain size on me-chanical property was investigated through tensile *** of the pre-strained and tensile tested samples were analyzed,*** 30.8°v-bending and following flattening,as well as Erichson cupping tests,were performed on the pre-strained *** show the elongation ratio of grain and dislocation density increases with *** platform is removed when pre-strain is larger than 0.06 while yielding plateau period decreases with pre-strain less than 0.06 due to reduction of pinning *** 30.8°v-bending and the following flattening tests are successfully accomplished on all the pre-strained samples with different grain *** in grain size,along with increase in pre-strain,causes increase in strength and decrease in elongation rate as well as cupping ***-strain causes very slight effect on bending ability,much less than that on mechanical property and cupping test *** impact of the pre-strain and grain size on HSLA steel deformability is inconspicuous.

关键词： strain hardening dislocation texture bending erichson cupping test

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Research on Anthropomorphic Obstacle Avoidance Trajectory Planning for Adaptive Driving Scenarios Based on Inverse Reinforcement Learning Theory

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Engineering 2024年第2期33卷 133-145页

作者： Jian Wu Yang Yan Yulong liu Yahui liu School of Mechanical and Automotive Engineering Liaocheng UniversityLiaocheng 252000China 2 School of Vehicle and Mobility Tsinghua UniversityBeijing 100084China

The forward design of trajectory planning strategies requires preset trajectory optimization functions,resulting in poor adaptability of the strategy and an inability to accurately generate obstacle avoidance trajectories that conform to real driver behavior *** addition,owing to the strong time-varying dynamic characteristics of obstacle avoidance scenarios,it is necessary to design numerous trajectory optimization functions and adjust the corresponding ***,an anthropomorphic obstacle-avoidance trajectory planning strategy for adaptive driving scenarios is ***,numerous expert-demonstrated trajectories are extracted from the HighD natural driving ***,a trajectory expectation feature-matching algorithm is proposed that uses maximum entropy inverse reinforcement learning theory to learn the extracted expert-demonstrated trajectories and achieve automatic acquisition of the optimization function of the expert-demonstrated ***,a mapping model is constructed by combining the key driving scenario information that affects vehicle obstacle avoidance with the weight of the optimization function,and an anthropomorphic obstacle avoidance trajectory planning strategy for adaptive driving scenarios is ***,the proposed strategy is verified based on real driving *** results show that the strategy can adjust the weight distribution of the trajectory optimization function in real time according to the“emergency degree”of obstacle avoidance and the state of the ***,this strategy can generate anthropomorphic trajectories that are similar to expert-demonstrated trajectories,effectively improving the adaptability and acceptability of trajectories in driving scenarios.

关键词： Obstacle avoidance trajectory planning Inverse reinforcement theory Anthropomorphic Adaptive driving scenarios

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